330086 <common-name>2-amino-1-(4-chlorophenyl)-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</common-name> <description>2-amino-1-(4-chlorophenyl)-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is a chemical compound with the formula C22H17ClN4O3. It has an average molecular weight of 420.80 g/mol.</description> <cas>311331-21-2</cas> <pubchem-id>5215630</pubchem-id> <chemical-formula>C22H17ClN4O3</chemical-formula> <weight>420.8</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T10:33:19Z</created-at> <updated-at type="dateTime">2026-08-30T10:33:19Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1</moldb-smiles> <moldb-formula>C22H17ClN4O3</moldb-formula> <moldb-inchi>InChI=1S/C22H17ClN4O3/c23-14-7-9-15(10-8-14)26-18-5-2-6-19(28)21(18)20(17(12-24)22(26)25)13-3-1-4-16(11-13)27(29)30/h1,3-4,7-11,20H,2,5-6,25H2</moldb-inchi> <moldb-inchikey>DEMCZGYBPVKIEY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">420.0989181</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM325979</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-amino-1-(4-chlorophenyl)-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Phenylquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0280642</sync-id> <structure-inchikey>DEMCZGYBPVKIEY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000004080004100000000000000000020000000000000000000000000000000000000000000000000000000000000400000000100000000000020001020400000001000000001400000000200000080000200000001100008000000020100000000000000000000100801000000020080800000000000800000001080001000000000000000000021000000000000000400000000089000000000040000004000000000000000000000000000000200000020000000200001000012000000000000200210000000000000400040000000000040000200000000000800001000000000001000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`�������`�������(�������(�������`�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h�������� ������h��������(�������(������@(������@h�������@(������@h�������@h�������@h������� *��������(������ *���ÿ����(�������(�������`��������������(���������(��� �� � h� h� �h���h�� h������ �� ��(������h���h���h���h���h��� ��(��� �� ��(��������� �h���h�B������������������� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:44Z</structure-indexed-at> </compound>